Crystallography Open Database

Information card for entry 4339559

Preview

Coordinates	4339559.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	compound 3
Formula	C8 H12 Bi Cu2 I5 N4
Calculated formula	C8 H12 Bi Cu2 I5 N4
Title of publication	A series of new copper iodobismuthates: structural relationships, optical band gaps affected by dimensionality, and distinct thermal stabilities.
Authors of publication	Chai, Wen-Xiang; Wu, Li-Ming; Li, Jun-Qian; Chen, Ling
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	21
Pages of publication	8698 - 8704
a	8.34 ± 0.004 Å
b	11 ± 0.006 Å
c	13.342 ± 0.007 Å
α	111.406 ± 0.005°
β	90.506 ± 0.006°
γ	90.458 ± 0.005°
Cell volume	1139.4 ± 1 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0591
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1334
Weighted residual factors for all reflections included in the refinement	0.1482
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179498 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/95.	4339559.cif
117388	2014-06-14	cif/ Adding structures of 4339557, 4339558, 4339559 via cif-deposit CGI script.	4339559.cif